| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (2S,6R)-1-[(1-ethylpyrazol-4-yl)methyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(1-ethylpyrazol-4-yl)…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.45 | 2.74 | -38.82 | 2 | 4 | 1 | 38 | 223.344 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 1.39 | -5.8 | 1 | 4 | 0 | 33 | 222.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
